SCHEMBL6987940

SCHEMBL6987940

CCCCC1(CC)C(=O)Sc2cc(OCC(=O)O)c(Br)cc2N(c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.48
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 3/20 0.38
PKM P14618 3/20 0.38
ALDH1A1 P00352 5/20 0.35
LMNA P02545 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 3/20 0.35
GPR55 Q9Y2T6 2/20 0.35
HPGD P15428 2/20 0.35
PRNP P04156 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GMNN O75496 1/20 0.34
BLM P54132 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7507444 0.91 ELANE (0.45) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6987548 0.91 ELANE (0.47) ELANECYP2C19KDM4EPKMALDH1A1
Water SCHEMBL7515031 0.90 ELANE (0.45) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6992279 0.88 ELANE (0.42) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL7512573 0.86 ELANE (0.44) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6993818 0.85 ELANE (0.43) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6993226 0.84 ELANE (0.41) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6991518 0.83 ELANE (0.47) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL6992847 0.81 ELANE (0.43) ELANECYP2C19KDM4EPKMALDH1A1
SCHEMBL7513280 0.80 ELANE (0.44) ELANECYP2C19KDM4EPKMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345918-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-09-24 EP disclosed
EP-1263747-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS AstraZeneca AB (SE) 2002-12-11 EP disclosed
WO-2002050051-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2002-06-27 WO disclosed
WO-2001066533-A1 1,5-BENZOTHIAZEPINES AND THEIR USE AS HYPOLIPIDAEMICS ASTRAZENECA AB (SE) 2001-09-13 WO disclosed